Chemical Properties of 2-Methyl-3-ketoisobutyric acid, enol, TMS

InChI

InChI=1S/C11H24O3Si2/c1-9(10(2)13-15(3,4)5)11(12)14-16(6,7)8/h1-8H3/b10-9-

InChI Key

BDEWTIHUFJXUDU-KTKRTIGZSA-N

Formula

C11H24O3Si2

SMILES

CC(O[Si](C)(C)C)=C(C)C(=O)O[Si](C)(C)C

Molecular Weight¹

260.48

Other Names

• 2-Methyl-3-ketoisobutyric acid, enol, di-TMS

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5208		Relay (1.0) Calculated Property
ΔfG°	-284.67	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-883.91	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	59.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-2.04		Relay (1.0) Calculated Property
logPoct/wat	3.510		Crippen Calculated Property
Pc	1352.31	kPa	Relay (1.0-beta) Calculated Property
Inp	[1278.00; 1328.00]
Inp	1328.00		NIST
Inp	1278.00		NIST
Inp	1327.00		NIST
Tboil	488.44	K	Relay (1.0) Calculated Property
Tc	661.80	K	Relay (1.0) Calculated Property
Tfus	290.52	K	Relay (1.0) Calculated Property
Vc	0.880	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-ketoisobutyric acid, enol, TMS.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

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